Mol:FL1C1ANF0001
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 22 24 0 0 0 0 0 0 0 0999 V2000 | + | 22 24 0 0 0 0 0 0 0 0999 V2000 |
| − | -2.0159 0.6036 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0159 0.6036 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0159 -0.0387 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0159 -0.0387 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4596 -0.3599 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4596 -0.3599 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9033 -0.0387 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9033 -0.0387 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9033 0.6036 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9033 0.6036 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4596 0.9248 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4596 0.9248 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3470 -0.3599 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3470 -0.3599 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2093 -0.0387 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2093 -0.0387 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7654 -0.3598 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7654 -0.3598 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3215 -0.0387 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3215 -0.0387 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8825 -0.3626 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8825 -0.3626 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4435 -0.0387 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4435 -0.0387 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4435 0.6091 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4435 0.6091 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8825 0.9329 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8825 0.9329 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3215 0.6091 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3215 0.6091 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3470 -0.8612 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3470 -0.8612 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.6268 0.8021 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.6268 0.8021 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.0044 0.2824 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.0044 0.2824 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.6268 -0.2372 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.6268 -0.2372 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.0044 0.9329 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.0044 0.9329 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8960 -0.5204 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8960 -0.5204 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1815 -0.9329 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1815 -0.9329 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1 2 1 0 0 0 0 | + | 1 2 1 0 0 0 0 |
| − | 2 3 2 0 0 0 0 | + | 2 3 2 0 0 0 0 |
| − | 3 4 1 0 0 0 0 | + | 3 4 1 0 0 0 0 |
| − | 4 5 2 0 0 0 0 | + | 4 5 2 0 0 0 0 |
| − | 5 6 1 0 0 0 0 | + | 5 6 1 0 0 0 0 |
| − | 6 1 2 0 0 0 0 | + | 6 1 2 0 0 0 0 |
| − | 4 7 1 0 0 0 0 | + | 4 7 1 0 0 0 0 |
| − | 7 8 1 0 0 0 0 | + | 7 8 1 0 0 0 0 |
| − | 8 9 2 0 0 0 0 | + | 8 9 2 0 0 0 0 |
| − | 9 10 1 0 0 0 0 | + | 9 10 1 0 0 0 0 |
| − | 10 11 2 0 0 0 0 | + | 10 11 2 0 0 0 0 |
| − | 11 12 1 0 0 0 0 | + | 11 12 1 0 0 0 0 |
| − | 12 13 2 0 0 0 0 | + | 12 13 2 0 0 0 0 |
| − | 13 14 1 0 0 0 0 | + | 13 14 1 0 0 0 0 |
| − | 14 15 2 0 0 0 0 | + | 14 15 2 0 0 0 0 |
| − | 15 10 1 0 0 0 0 | + | 15 10 1 0 0 0 0 |
| − | 7 16 2 0 0 0 0 | + | 7 16 2 0 0 0 0 |
| − | 1 17 1 0 0 0 0 | + | 1 17 1 0 0 0 0 |
| − | 17 18 1 0 0 0 0 | + | 17 18 1 0 0 0 0 |
| − | 18 19 2 0 0 0 0 | + | 18 19 2 0 0 0 0 |
| − | 19 2 1 0 0 0 0 | + | 19 2 1 0 0 0 0 |
| − | 13 20 1 0 0 0 0 | + | 13 20 1 0 0 0 0 |
| − | 3 21 1 0 0 0 0 | + | 3 21 1 0 0 0 0 |
| − | 21 22 1 0 0 0 0 | + | 21 22 1 0 0 0 0 |
| − | M STY 1 1 SUP | + | M STY 1 1 SUP |
| − | M SLB 1 1 1 | + | M SLB 1 1 1 |
| − | M SAL 1 2 21 22 | + | M SAL 1 2 21 22 |
| − | M SBL 1 1 23 | + | M SBL 1 1 23 |
| − | M SMT 1 OCH3 | + | M SMT 1 OCH3 |
| − | M SBV 1 23 -6.0782 3.7225 | + | M SBV 1 23 -6.0782 3.7225 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL1C1ANF0001 | + | ID FL1C1ANF0001 |
| − | KNApSAcK_ID C00007022 | + | KNApSAcK_ID C00007022 |
| − | NAME Purpuritenin A | + | NAME Purpuritenin A |
| − | CAS_RN 83728-90-9 | + | CAS_RN 83728-90-9 |
| − | FORMULA C19H16O3 | + | FORMULA C19H16O3 |
| − | EXACTMASS 292.109944378 | + | EXACTMASS 292.109944378 |
| − | AVERAGEMASS 292.32854 | + | AVERAGEMASS 292.32854 |
| − | SMILES c(c23)(occ3)ccc(c2OC)C(=O)C=Cc(c1)ccc(C)c1 | + | SMILES c(c23)(occ3)ccc(c2OC)C(=O)C=Cc(c1)ccc(C)c1 |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
22 24 0 0 0 0 0 0 0 0999 V2000
-2.0159 0.6036 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0159 -0.0387 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4596 -0.3599 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9033 -0.0387 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9033 0.6036 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4596 0.9248 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3470 -0.3599 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2093 -0.0387 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7654 -0.3598 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3215 -0.0387 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8825 -0.3626 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4435 -0.0387 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4435 0.6091 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8825 0.9329 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3215 0.6091 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3470 -0.8612 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.6268 0.8021 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.0044 0.2824 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6268 -0.2372 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0044 0.9329 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8960 -0.5204 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.1815 -0.9329 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0 0 0 0
2 3 2 0 0 0 0
3 4 1 0 0 0 0
4 5 2 0 0 0 0
5 6 1 0 0 0 0
6 1 2 0 0 0 0
4 7 1 0 0 0 0
7 8 1 0 0 0 0
8 9 2 0 0 0 0
9 10 1 0 0 0 0
10 11 2 0 0 0 0
11 12 1 0 0 0 0
12 13 2 0 0 0 0
13 14 1 0 0 0 0
14 15 2 0 0 0 0
15 10 1 0 0 0 0
7 16 2 0 0 0 0
1 17 1 0 0 0 0
17 18 1 0 0 0 0
18 19 2 0 0 0 0
19 2 1 0 0 0 0
13 20 1 0 0 0 0
3 21 1 0 0 0 0
21 22 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 21 22
M SBL 1 1 23
M SMT 1 OCH3
M SBV 1 23 -6.0782 3.7225
S SKP 8
ID FL1C1ANF0001
KNApSAcK_ID C00007022
NAME Purpuritenin A
CAS_RN 83728-90-9
FORMULA C19H16O3
EXACTMASS 292.109944378
AVERAGEMASS 292.32854
SMILES c(c23)(occ3)ccc(c2OC)C(=O)C=Cc(c1)ccc(C)c1
M END
